Geometry & MOs

Info

ID:	173074
PubChem CID:	75592970
Reduced:	ClOSN7C14H20 (1)
Stoich.:	ABCD7E14F20 (1)
Weight, g/mol:	365.148789
ΔH_f, kcal/mol:	25.66
Dipole, Da:	4.93
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1-(1-phenyltetrazol-5-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C(N=C3N2C=CS3)Cl)C4CC(=O)NC(N4)N

DOS

IR

Vibrations